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Compound Detail

CHEMBL3410416

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CC(=O)Nc1ccccc1C(=O)N1CCCC[C@H]1c1cc2[nH]c(C)c(C)c(=O)n2n1

Basic Information

ChEMBL ID CHEMBL3410416
Phase Preclinical
Structure Type MOL
InChI Key UGWKGZBFDXNOBE-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
2.97
ALogP
5
HBA
2
HBD
99.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N5O3
MW 407.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.32

Activity Summary

EC50 1 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Respiratory syncytial virus
CHEMBL612679
EC50 7.24 7.24 57.0 1

Pharmacokinetic Data

Parameter Value Units Species
Fu 0.17 - Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25574686 10.1021/jm5017768 ADMET 4
25574686 10.1021/jm5017768 Respiratory syncytial virus 1
25574686 10.1021/jm5017768 No relevant target 1
25574686 10.1021/jm5017768 Plasma 1
25574686 10.1021/jm5017768 MT4 1

Data from ChEMBL 36 via Core Engine